(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C15H13F4NO — CID 105016494

IUPAC(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cc(F)cc(C(N)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H13F4NO/c1-9-6-11(8-12(16)7-9)14(20)10-2-4-13(5-3-10)21-15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyYWFUDKPWAUEBEL-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.08
Rot. Bonds3

About (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 105016494) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID105016494
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cc(F)cc(C(N)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H13F4NO/c1-9-6-11(8-12(16)7-9)14(20)10-2-4-13(5-3-10)21-15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyYWFUDKPWAUEBEL-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethylphenol;hydrochloride
CID 171248077
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 115804926
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240548
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
CID 171246193
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 105016494) is (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is Cc1cc(F)cc(C(N)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is YWFUDKPWAUEBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-9-6-11(8-12(16)7-9)14(20)10-2-4-13(5-3-10)21-15(17,18)19/h2-8,14H,20H2,1H3.
What are the key properties of (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 299.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 105016494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).